Vitas-M small molecule compound
dimethyl 1-(3-chloro-4-methylphenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK405334
SMILES COC(=O)C1=CN(C=C(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)C(=O)OC)c1ccc(c(c1)Cl)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H21ClN2O8 MW 488.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O8/c1-12-5-6-14(9-17(12)24)25-10-15(22(28)33-3)20(16(11-25)23(29)34-4)13-7-18(26(30)31)21(27)19(8-13)32-2/h5-11,20,27H,1-4H3InChIKey
BTULCFGKZMSDPJ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)OC)Cl
COC(=O)C1=CN(C=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)OC)c1ccc(c(c1)Cl)C
dimethyl1(3chloro4methylphenyl)4(4hydroxy3methoxy5nitrophenyl)14dihydropyridine35dicarboxylate
DIMETHYL1(3CHLORO4METHYLPHENYL)4(4HYDROXY3METHOXY5NITROPHENYL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC23H21ClN2O8c1125614(917(12)24)251015(22(28)333)20(16(1125)23(29)344)13718(26(30)31)21(27)19(813)322h5112027H14H3
METHYL1(3CHLORO4METHYLPHENYL)4(4HYDROXY5METHOXY3NITROPHENYL)5(METHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03999677
ZINC000016286139
ZINC16286139
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